2-Propenoic acid, 2-cyano-3,3-diphenyl-,2,2-bis{[(2-cyano-1-oxo-3, 3-diphenyl-2-propenyloxy]methyl}-1,3-propanediyl este

Mainterm	2-Propenoic acid, 2-cyano-3,3-diphenyl-,2,2-bis{[(2-cyano-1-oxo-3, 3-diphenyl-2-propenyloxy]methyl}-1,3-propanediyl este
CAS Reg.No.(or other ID)	178671-58-4
Regnum

From www.fda.gov

2D Structure
CID	16134382
IUPAC Name
InChI	InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2
InChI Key	CVSXFBFIOUYODT-UHFFFAOYSA-N
Canonical SMILES	C1=CC=C(C=C1)C(=C(C#N)C(=O)OCC(COC(=O)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C#N)(COC(=O)C(=C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)COC(=O)C(=C(C6=CC=CC=C6)C7=CC=CC=C7)C#N)C8=CC=CC=C8
Molecular Formula	C69H48N4O8
Wikipedia	2-cyano-3,3-diphenyl-2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy)methyl)-1,3-propanediyl ester2-<a class="pubchem-internal-link CID-6581" href="https://pubchem.ncbi.nlm.nih.gov/compound/propenoic%20acid">propenoic acid</a>

From Pubchem

Property Name	Property Value
Molecular Weight	1061.163
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	24
Complexity	2070.0
CACTVS Substructure Key Fingerprint	A A A D c f B / v A A A A A A A A A A A A A A A A A A A A A A A A A A w Y M G D A A A A A A A B V A A A H g A A A A A A D g C h m A I w C I A A B A C Y B i D S C A A i A A A g A A A I i A E A A M g I p C K A M R C C M A A h g A A I q Q c A g M A O A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	200.0
Monoisotopic Mass	1060.347
Exact Mass	1060.347
XLogP3	None
XLogP3-AA	15.5
Compound Is Canonicalized	False
Formal Charge	0
Heavy Atom Count	81
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	1

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Organopnictogen compounds Cinnamic acid esters Tetracarboxylic acids and derivatives Nitriles Fatty acid esters Hydrocarbon derivatives Organic oxides Enoate esters Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Tetracarboxylic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Fatty acid ester - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

General Information